(2S,4R,5R)-5-amino-2-[(2R,3S,5S)-2-[(2S,4R,5R)-3-amino-2-[(3S)-3-[[(2S)-3-carboxy-2-[[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(E,2S)-5-(ethylideneamino)-4-methyl-2-[[4-oxo-4-[2-(2-propoxyethoxy)ethylamino]butanoyl]amino]pent-4-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-oxo-4-[[(3S)-2-oxoheptan-3-yl]amino]butan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,4R,5R)-5-amino-2-[(2R,3S,5S)-2-[(2S,4R,5R)-3-amino-2-[(3S)-3-[[(2S)-3-carboxy-2-[[1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(E,2S)-5-(ethylideneamino)-4-methyl-2-[[4-oxo-4-[2-(2-propoxyethoxy)ethylamino]butanoyl]amino]pent-4-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-oxo-4-[[(3S)-2-oxoheptan-3-yl]amino]butan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• 化学式: C₇₇H₁₃₀N₁₄O₃₅
• 分子量: 1811.9
• InChiKey: RLXQSLMXHBIKJX-LJVFGZIYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.7
• 重原子数：
  126
• 可旋转键数：
  54
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  764
• 氢给体数：
  25
• 氢受体数：
  38